Reorganize energy evaluation for EM
commit1ab524fff864b3afe7ce2a66dcdc6aa669e2e09c
authorMark Abraham <mark.j.abraham@gmail.com>
Mon, 26 Feb 2018 16:47:24 +0000 (26 17:47 +0100)
committerMark Abraham <mark.j.abraham@gmail.com>
Thu, 12 Apr 2018 07:29:30 +0000 (12 09:29 +0200)
treecc2e56457f297eed38b6c9bd97f9687912adf9fe
parentd8f56e9a2cf8b9ee699521c93a3f15c2b907d169
Reorganize energy evaluation for EM

Used aggregate initialized structs to simplify future refactoring.

Refs #1793, #2423

Change-Id: Iedb8bf3b4cb2d7f238c4b674ce459564a3f76a20
src/gromacs/mdrun/minimize.cpp